CID 82609488

1503955-71-2

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC(=CC=C1C2=CC(=O)NO2)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-9-5-8(15-11-9)6-1-3-7(4-2-6)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKey
FVAVMQFSPCWWBL-UHFFFAOYSA-N
Compound name
4-(3-oxo-1,2-oxazol-5-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 138.9
[M+Na]+ 228.026718 148.3
[M-H]- 204.030224 143.4
[M+NH4]+ 223.071323 155.6
[M+K]+ 244.000658 146.1
[M+H-H2O]+ 188.034760 132.6
[M+HCOO]- 250.035701 160.5
[M+CH3COO]- 264.051351 177.4
[M+Na-2H]- 226.012166 143.9
[M]+ 205.03695142 139.3
[M]- 205.03804858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.